Receptor
PDB id Resolution Class Description Source Keywords
6F9G 2.39 Å NON-ENZYME: OTHER LIGAND BINDING DOMAIN OF P. PUTIDA KT2440 POLYAMINE CHEMOREC MCPU IN COMPLEX PUTRESCINE. PSEUDOMONAS PUTIDA KT2440 LIGAND BINDING DOMAIN SIGNALING PROTEIN CHEMOTACTIC TRANSD
Ref.: STRUCTURAL BASIS FOR POLYAMINE BINDING AT THE DCACH OF THE MCPU CHEMORECEPTOR FROM PSEUDOMONAS PUTIDA. J. MOL. BIOL. V. 430 1950 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL D:403;
A:402;
E:402;
D:404;
E:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PUT C:401;
E:401;
D:401;
A:401;
B:401;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
Kd = 2 uM
88.151 C4 H12 N2 C(CCN...
ACT C:402;
D:402;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6F9G 2.39 Å NON-ENZYME: OTHER LIGAND BINDING DOMAIN OF P. PUTIDA KT2440 POLYAMINE CHEMOREC MCPU IN COMPLEX PUTRESCINE. PSEUDOMONAS PUTIDA KT2440 LIGAND BINDING DOMAIN SIGNALING PROTEIN CHEMOTACTIC TRANSD
Ref.: STRUCTURAL BASIS FOR POLYAMINE BINDING AT THE DCACH OF THE MCPU CHEMORECEPTOR FROM PSEUDOMONAS PUTIDA. J. MOL. BIOL. V. 430 1950 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 6F9G Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 6F9G Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 6F9G Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PUT; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PUT 1 1
2 13D 0.666667 0.8
3 N2P 0.636364 0.947368
4 16D 0.636364 0.9
5 DIA 0.583333 0.9
6 AML 0.5 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6F9G; Ligand: PUT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6f9g.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6F9G; Ligand: PUT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6f9g.bio5) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6F9G; Ligand: PUT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6f9g.bio4) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6F9G; Ligand: PUT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6f9g.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6F9G; Ligand: PUT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6f9g.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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